4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide

C24H26N4O2 — CID 68602190

IUPAC4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
SMILESNc1nc(OCC2CC2)c2cc(-c3ccc(C(=O)NC4CCCC4)cc3)ccc2n1
InChIInChI=1S/C24H26N4O2/c25-24-27-21-12-11-18(13-20(21)23(28-24)30-14-15-5-6-15)16-7-9-17(10-8-16)22(29)26-19-3-1-2-4-19/h7-13,15,19H,1-6,14H2,(H,26,29)(H2,25,27,28)
InChIKeyRVLMXQFHPNZPMA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.34
Rot. Bonds6

About 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide

4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide (PubChem CID 68602190) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
PubChem CID68602190
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide
SMILESNc1nc(OCC2CC2)c2cc(-c3ccc(C(=O)NC4CCCC4)cc3)ccc2n1
InChIInChI=1S/C24H26N4O2/c25-24-27-21-12-11-18(13-20(21)23(28-24)30-14-15-5-6-15)16-7-9-17(10-8-16)22(29)26-19-3-1-2-4-19/h7-13,15,19H,1-6,14H2,(H,26,29)(H2,25,27,28)
InChIKeyRVLMXQFHPNZPMA-UHFFFAOYSA-N
XLogP4.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
CID 68602490
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-methoxybenzamide
CID 87511779
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-(furan-2-ylmethyl)benzamide
CID 68602385
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
CID 68600652
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-7-yl)-N-cyclopropylbenzamide
CID 110172113
2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
4-(5-amino-3-pyridinyl)-N-cyclobutylbenzamide
CID 118795848
[4-[2-amino-4-(2-hydroxyethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
CID 68601883
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide?
The IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide (CID 68602190) is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide is Nc1nc(OCC2CC2)c2cc(-c3ccc(C(=O)NC4CCCC4)cc3)ccc2n1.
What is the InChIKey of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide?
The InChIKey is RVLMXQFHPNZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-24-27-21-12-11-18(13-20(21)23(28-24)30-14-15-5-6-15)16-7-9-17(10-8-16)22(29)26-19-3-1-2-4-19/h7-13,15,19H,1-6,14H2,(H,26,29)(H2,25,27,28).
What are the key properties of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide?
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-cyclopentylbenzamide is sourced from PubChem (CID 68602190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).