4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide

C17H16N4O2 — CID 66762608

IUPAC4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide
SMILESCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C17H16N4O2/c1-23-12-5-2-4-11(8-12)9-19-17-14-7-3-6-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyBIKYYRLGHVJTHO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.35
Rot. Bonds5

About 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide

4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide (PubChem CID 66762608) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide
PubChem CID66762608
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide
SMILESCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
InChIInChI=1S/C17H16N4O2/c1-23-12-5-2-4-11(8-12)9-19-17-14-7-3-6-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyBIKYYRLGHVJTHO-UHFFFAOYSA-N
XLogP2.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide (CID 66762608) is 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide is COc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide?
The InChIKey is BIKYYRLGHVJTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-12-5-2-4-11(8-12)9-19-17-14-7-3-6-13(16(18)22)15(14)20-10-21-17/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide?
4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).