[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride

C23H27ClN4O2 — CID 146063932

IUPAC[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15(2)17-5-7-18(8-6-17)26-21-19-9-4-16(3)25-22(19)24-14-20(21)23(28)27-10-12-29-13-11-27;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H
InChIKeySESFIHCQDNFYKA-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.70
Rot. Bonds4

About [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride

[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 146063932) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID146063932
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCOCC3)cnc2n1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-15(2)17-5-7-18(8-6-17)26-21-19-9-4-16(3)25-22(19)24-14-20(21)23(28)27-10-12-29-13-11-27;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H
InChIKeySESFIHCQDNFYKA-UHFFFAOYSA-N
XLogP4.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride with MolForge

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Related Compounds

4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064283
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816

Frequently Asked Questions

What is the IUPAC name of [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride (CID 146063932) is [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCOCC3)cnc2n1.Cl.
What is the InChIKey of [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is SESFIHCQDNFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-15(2)17-5-7-18(8-6-17)26-21-19-9-4-16(3)25-22(19)24-14-20(21)23(28)27-10-12-29-13-11-27;/h4-9,14-15H,10-13H2,1-3H3,(H,24,25,26);1H.
What are the key properties of [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride?
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 146063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).