3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

C19H14ClN3O3 — CID 3312032

IUPAC3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cccn3c(=O)c4ccc(Cl)cc4nc23)o1
InChIInChI=1S/C19H14ClN3O3/c1-11-4-6-13(26-11)10-21-18(24)15-3-2-8-23-17(15)22-16-9-12(20)5-7-14(16)19(23)25/h2-9H,10H2,1H3,(H,21,24)
InChIKeyWJZJQODVOHJPKK-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.33
Rot. Bonds3

About 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide

3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 3312032) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID3312032
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cccn3c(=O)c4ccc(Cl)cc4nc23)o1
InChIInChI=1S/C19H14ClN3O3/c1-11-4-6-13(26-11)10-21-18(24)15-3-2-8-23-17(15)22-16-9-12(20)5-7-14(16)19(23)25/h2-9H,10H2,1H3,(H,21,24)
InChIKeyWJZJQODVOHJPKK-UHFFFAOYSA-N
XLogP3.33
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide (CID 3312032) is 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is Cc1ccc(CNC(=O)c2cccn3c(=O)c4ccc(Cl)cc4nc23)o1.
What is the InChIKey of 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is WJZJQODVOHJPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c1-11-4-6-13(26-11)10-21-18(24)15-3-2-8-23-17(15)22-16-9-12(20)5-7-14(16)19(23)25/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide?
3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 367.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methylfuran-2-yl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 3312032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).