N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C20H18N4O3 — CID 25163626

IUPACN-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1
InChIInChI=1S/C20H18N4O3/c1-21-18(25)12-4-7-14(8-5-12)22-19(26)13-6-9-15-16(11-13)23-17-3-2-10-24(17)20(15)27/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyDFGZWNSGYUKYAD-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.95
Rot. Bonds3

About N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 25163626) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID25163626
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1
InChIInChI=1S/C20H18N4O3/c1-21-18(25)12-4-7-14(8-5-12)22-19(26)13-6-9-15-16(11-13)23-17-3-2-10-24(17)20(15)27/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyDFGZWNSGYUKYAD-UHFFFAOYSA-N
XLogP1.95
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 25163626) is N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CNC(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is DFGZWNSGYUKYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-21-18(25)12-4-7-14(8-5-12)22-19(26)13-6-9-15-16(11-13)23-17-3-2-10-24(17)20(15)27/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 25163626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).