8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

C24H28N4O2 — CID 5330317

IUPAC8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)
InChIKeyMSFZKJUNFSIHIJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.88
Rot. Bonds5

About 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 5330317) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID5330317
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)
InChIKeyMSFZKJUNFSIHIJ-UHFFFAOYSA-N
XLogP4.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoquinazoline 20
CID 5330318
2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 7
CID 5330306
2-Aminoquinazoline 8
CID 5330307
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 10
CID 5330309
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 14
CID 5330312

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (CID 5330317) is 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is MSFZKJUNFSIHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 5330317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).