2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide

C24H27N5O2 — CID 52939070

IUPAC2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide
SMILESCCCC(C(=O)NCC)c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C24H27N5O2/c1-3-7-18(22(30)26-4-2)15-10-11-20-19(12-15)21(28-24(25)27-20)23(31)29-13-16-8-5-6-9-17(16)14-29/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3,(H,26,30)(H2,25,27,28)
InChIKeyLJDBVSIKSTYHIP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.39
Rot. Bonds6

About 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide

2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide (PubChem CID 52939070) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide.

Molecular Properties

Compound Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide
PubChem CID52939070
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide
SMILESCCCC(C(=O)NCC)c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C24H27N5O2/c1-3-7-18(22(30)26-4-2)15-10-11-20-19(12-15)21(28-24(25)27-20)23(31)29-13-16-8-5-6-9-17(16)14-29/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3,(H,26,30)(H2,25,27,28)
InChIKeyLJDBVSIKSTYHIP-UHFFFAOYSA-N
XLogP3.39
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide?
The IUPAC name of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide (CID 52939070) is 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide.
What is the SMILES notation for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide?
The canonical SMILES for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide is CCCC(C(=O)NCC)c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide?
The InChIKey is LJDBVSIKSTYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-7-18(22(30)26-4-2)15-10-11-20-19(12-15)21(28-24(25)27-20)23(31)29-13-16-8-5-6-9-17(16)14-29/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3,(H,26,30)(H2,25,27,28).
What are the key properties of 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide?
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide has a molecular weight of 417.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-ethylpentanamide is sourced from PubChem (CID 52939070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).