N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide

C19H13BrN4O2 — CID 71762114

IUPACN-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccco1
InChIInChI=1S/C19H13BrN4O2/c20-12-3-1-4-13(9-12)23-18-15-10-14(6-7-16(15)21-11-22-18)24-19(25)17-5-2-8-26-17/h1-11H,(H,24,25)(H,21,22,23)
InChIKeyPQMRVBDJKHPGRM-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide

N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide (PubChem CID 71762114) has the molecular formula C19H13BrN4O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide
PubChem CID71762114
Molecular FormulaC19H13BrN4O2
Molecular Weight409.24 g/mol
Exact Mass408.02
IUPAC NameN-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccco1
InChIInChI=1S/C19H13BrN4O2/c20-12-3-1-4-13(9-12)23-18-15-10-14(6-7-16(15)21-11-22-18)24-19(25)17-5-2-8-26-17/h1-11H,(H,24,25)(H,21,22,23)
InChIKeyPQMRVBDJKHPGRM-UHFFFAOYSA-N
XLogP4.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide (CID 71762114) is N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide is O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccco1.
What is the InChIKey of N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide?
The InChIKey is PQMRVBDJKHPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O2/c20-12-3-1-4-13(9-12)23-18-15-10-14(6-7-16(15)21-11-22-18)24-19(25)17-5-2-8-26-17/h1-11H,(H,24,25)(H,21,22,23).
What are the key properties of N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide?
N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide has a molecular weight of 409.24 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 71762114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).