7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

About 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 118031978) has the molecular formula C32H29N7O4 and a molecular weight of 575.63 g/mol. Its IUPAC name is 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name	7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID	118031978
Molecular Formula	C32H29N7O4
Molecular Weight	575.63 g/mol
Exact Mass	575.23
IUPAC Name	7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
SMILES	Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CCNC(=O)[C@H]3CCCO3)c2c(=O)n1-c1ccccc1
InChI	InChI=1S/C32H29N7O4/c1-20-26(29-33-16-17-38(29)19-35-20)31(41)36-21(2)28-37-24-13-6-9-22(10-7-15-34-30(40)25-14-8-18-43-25)27(24)32(42)39(28)23-11-4-3-5-12-23/h3-6,9,11-13,16-17,19,21,25H,8,14-15,18H2,1-2H3,(H,34,40)(H,36,41)/t21-,25+/m0/s1
InChIKey	WNDWAXGPNSOWAU-SQJMNOBHSA-N
XLogP	2.87
TPSA	132.51 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.63
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 118031978) is 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is Cc1ncn2ccnc2c1C(=O)N[C@@H](C)c1nc2cccc(C#CCNC(=O)[C@H]3CCCO3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is WNDWAXGPNSOWAU-SQJMNOBHSA-N. The full InChI is InChI=1S/C32H29N7O4/c1-20-26(29-33-16-17-38(29)19-35-20)31(41)36-21(2)28-37-24-13-6-9-22(10-7-15-34-30(40)25-14-8-18-43-25)27(24)32(42)39(28)23-11-4-3-5-12-23/h3-6,9,11-13,16-17,19,21,25H,8,14-15,18H2,1-2H3,(H,34,40)(H,36,41)/t21-,25+/m0/s1.

What are the key properties of 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 575.63 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[(1S)-1-[4-oxo-5-[3-[[(2R)-oxolane-2-carbonyl]amino]prop-1-ynyl]-3-phenylquinazolin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 118031978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).