N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide

C25H27BrN4O — CID 11213767

IUPACN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1
InChIInChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29)
InChIKeyCIJBANRWXTXQCO-UHFFFAOYSA-N
MW479.42 g/mol
LogP6.92
Rot. Bonds5

About N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide

N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide (PubChem CID 11213767) has the molecular formula C25H27BrN4O and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
PubChem CID11213767
Molecular FormulaC25H27BrN4O
Molecular Weight479.42 g/mol
Exact Mass478.14
IUPAC NameN-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1
InChIInChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29)
InChIKeyCIJBANRWXTXQCO-UHFFFAOYSA-N
XLogP6.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide (CID 11213767) is N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide is O=C(Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1C1CCCC1)C1CCCC1.
What is the InChIKey of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
The InChIKey is CIJBANRWXTXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O/c26-18-10-5-11-19(12-18)29-24-21-14-23(30-25(31)17-8-3-4-9-17)20(16-6-1-2-7-16)13-22(21)27-15-28-24/h5,10-17H,1-4,6-9H2,(H,30,31)(H,27,28,29).
What are the key properties of N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide?
N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide has a molecular weight of 479.42 g/mol, XLogP of 6.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)-7-cyclopentylquinazolin-6-yl]cyclopentanecarboxamide is sourced from PubChem (CID 11213767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).