N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine

C24H29N5O — CID 5330315

IUPACN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C24H29N5O/c1-30-21-11-6-17-14-26-24(28-23(17)22(21)16-4-2-3-5-16)27-19-7-9-20(10-8-19)29-13-12-18(25)15-29/h6-11,14,16,18H,2-5,12-13,15,25H2,1H3,(H,26,27,28)
InChIKeyWTNLHNBOLGKCHQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.58
Rot. Bonds5

About N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine (PubChem CID 5330315) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
PubChem CID5330315
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C24H29N5O/c1-30-21-11-6-17-14-26-24(28-23(17)22(21)16-4-2-3-5-16)27-19-7-9-20(10-8-19)29-13-12-18(25)15-29/h6-11,14,16,18H,2-5,12-13,15,25H2,1H3,(H,26,27,28)
InChIKeyWTNLHNBOLGKCHQ-UHFFFAOYSA-N
XLogP4.58
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine?
The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine (CID 5330315) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine.
What is the SMILES notation for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine?
The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C1CCCC1.
What is the InChIKey of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine?
The InChIKey is WTNLHNBOLGKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-30-21-11-6-17-14-26-24(28-23(17)22(21)16-4-2-3-5-16)27-19-7-9-20(10-8-19)29-13-12-18(25)15-29/h6-11,14,16,18H,2-5,12-13,15,25H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine?
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine is sourced from PubChem (CID 5330315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).