4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine

C52H51ClN10O4 — CID 157349464

IUPAC4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2ncccc2c1Cl.Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21.c1cc2c(cc1N1CCOCC1)NCCO2
InChIInChI=1S/C26H25N5O2.C14H10ClN3.C12H16N2O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30;1-9-12(15)10-5-4-8-17-14(10)18-13(9)11-6-2-3-7-16-11;1-2-12-11(13-3-6-16-12)9-10(1)14-4-7-15-8-5-14/h2-10,17H,11-16H2,1H3;2-8H,1H3;1-2,9,13H,3-8H2
InChIKeyBHIZDJQGEZQBQK-UHFFFAOYSA-N
MW915.50 g/mol
LogP9.35
Rot. Bonds5

About 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine

4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 157349464) has the molecular formula C52H51ClN10O4 and a molecular weight of 915.50 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID157349464
Molecular FormulaC52H51ClN10O4
Molecular Weight915.50 g/mol
Exact Mass914.38
IUPAC Name4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1c(-c2ccccn2)nc2ncccc2c1Cl.Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21.c1cc2c(cc1N1CCOCC1)NCCO2
InChIInChI=1S/C26H25N5O2.C14H10ClN3.C12H16N2O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30;1-9-12(15)10-5-4-8-17-14(10)18-13(9)11-6-2-3-7-16-11;1-2-12-11(13-3-6-16-12)9-10(1)14-4-7-15-8-5-14/h2-10,17H,11-16H2,1H3;2-8H,1H3;1-2,9,13H,3-8H2
InChIKeyBHIZDJQGEZQBQK-UHFFFAOYSA-N
XLogP9.35
TPSA136.01 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.50
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

6-Arylpyrido[2,3-d]pyrimidine deriv. 67
CID 5328169
6-Arylpyrido[2,3-d]pyrimidine deriv. 69
CID 5328171
1-Tert-butyl-3-(6-(2,6-dichlorophenyl)-2-(4-(2-(diethylamino)ethoxy)phenylamino)pyrido[2,3-d]pyrimidin-7-yl)urea
CID 44294644
N-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 44528799
N-[2-[[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 44528846
N'-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrimidin-2-yl]-N-methylethane-1,2-diamine
CID 44528884
(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
N4-[2-[(7-chloro-4-quinolyl)amino]ethyl]-N2-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 71598367
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 127049419
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 127052760
US20240025922, Example 97
CID 170324289

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 157349464) is 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine is Cc1c(-c2ccccn2)nc2ncccc2c1Cl.Cc1c(-c2ccccn2)nc2ncccc2c1N1CCOc2ccc(N3CCOCC3)cc21.c1cc2c(cc1N1CCOCC1)NCCO2.
What is the InChIKey of 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BHIZDJQGEZQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C14H10ClN3.C12H16N2O2/c1-18-24(21-6-2-3-9-27-21)29-26-20(5-4-10-28-26)25(18)31-13-16-33-23-8-7-19(17-22(23)31)30-11-14-32-15-12-30;1-9-12(15)10-5-4-8-17-14(10)18-13(9)11-6-2-3-7-16-11;1-2-12-11(13-3-6-16-12)9-10(1)14-4-7-15-8-5-14/h2-10,17H,11-16H2,1H3;2-8H,1H3;1-2,9,13H,3-8H2.
What are the key properties of 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine?
4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 915.50 g/mol, XLogP of 9.35, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-pyridin-2-yl-1,8-naphthyridine;4-(3-methyl-2-pyridin-2-yl-1,8-naphthyridin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine;6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 157349464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).