6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

C26H34N4O3 — CID 143452423

IUPAC6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C26H34N4O3/c1-19-17-20-3-8-24(33-25(20)23(18-19)30-11-9-28(2)10-12-30)26(31)27-21-4-6-22(7-5-21)29-13-15-32-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)
InChIKeyLKCQTMIMYPWWAV-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.92
Rot. Bonds4

About 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 143452423) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID143452423
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C26H34N4O3/c1-19-17-20-3-8-24(33-25(20)23(18-19)30-11-9-28(2)10-12-30)26(31)27-21-4-6-22(7-5-21)29-13-15-32-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)
InChIKeyLKCQTMIMYPWWAV-UHFFFAOYSA-N
XLogP2.92
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 71192334
methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate
CID 143452425
6-(1-hydroxyethyl)-8-(4-methylpiperazin-1-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 71193263
6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-8-[4-(2,2,2-tricyanoethyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 89357090
N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91461379
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53284724
N-[4-[(1-amino-2-methoxyethyl)carbamoyl]phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163937992
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
(2R)-6-methyl-4-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125072950
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
4-(dimethylamino)-6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 142238854

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 143452423) is 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is Cc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCOCC3)cc1)CC2.
What is the InChIKey of 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is LKCQTMIMYPWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-19-17-20-3-8-24(33-25(20)23(18-19)30-11-9-28(2)10-12-30)26(31)27-21-4-6-22(7-5-21)29-13-15-32-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31).
What are the key properties of 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 143452423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).