7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H25N3O3 — CID 72931988

IUPAC7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCc1nc(C)c3c(n1)CCCC3)C2
InChIInChI=1S/C21H25N3O3/c1-13-17-5-3-4-6-18(17)24-20(23-13)11-22-21(25)15-9-14-7-8-16(26-2)10-19(14)27-12-15/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyUSWASZUDFJDJAV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds4

About 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72931988) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72931988
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCc1nc(C)c3c(n1)CCCC3)C2
InChIInChI=1S/C21H25N3O3/c1-13-17-5-3-4-6-18(17)24-20(23-13)11-22-21(25)15-9-14-7-8-16(26-2)10-19(14)27-12-15/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,22,25)
InChIKeyUSWASZUDFJDJAV-UHFFFAOYSA-N
XLogP2.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
8-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 70782110
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49195308
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72914710
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72882003
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-7-methoxy-N-[(1-methylindazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99783459
(3S)-8-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97190367

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72931988) is 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)NCc1nc(C)c3c(n1)CCCC3)C2.
What is the InChIKey of 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is USWASZUDFJDJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-17-5-3-4-6-18(17)24-20(23-13)11-22-21(25)15-9-14-7-8-16(26-2)10-19(14)27-12-15/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72931988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).