N-(10-phenoxydecyl)quinazolin-4-amine

C24H31N3O — CID 20545322

IUPACN-(10-phenoxydecyl)quinazolin-4-amine
SMILESc1ccc(OCCCCCCCCCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C24H31N3O/c1(2-4-6-13-19-28-21-14-8-7-9-15-21)3-5-12-18-25-24-22-16-10-11-17-23(22)26-20-27-24/h7-11,14-17,20H,1-6,12-13,18-19H2,(H,25,26,27)
InChIKeyYPYJWXFBBGAQEB-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.24
Rot. Bonds13

About N-(10-phenoxydecyl)quinazolin-4-amine

N-(10-phenoxydecyl)quinazolin-4-amine (PubChem CID 20545322) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(10-phenoxydecyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(10-phenoxydecyl)quinazolin-4-amine
PubChem CID20545322
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-(10-phenoxydecyl)quinazolin-4-amine
SMILESc1ccc(OCCCCCCCCCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C24H31N3O/c1(2-4-6-13-19-28-21-14-8-7-9-15-21)3-5-12-18-25-24-22-16-10-11-17-23(22)26-20-27-24/h7-11,14-17,20H,1-6,12-13,18-19H2,(H,25,26,27)
InChIKeyYPYJWXFBBGAQEB-UHFFFAOYSA-N
XLogP6.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
CID 121380379
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
CID 90319300
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
CID 24845741

Frequently Asked Questions

What is the IUPAC name of N-(10-phenoxydecyl)quinazolin-4-amine?
The IUPAC name of N-(10-phenoxydecyl)quinazolin-4-amine (CID 20545322) is N-(10-phenoxydecyl)quinazolin-4-amine.
What is the SMILES notation for N-(10-phenoxydecyl)quinazolin-4-amine?
The canonical SMILES for N-(10-phenoxydecyl)quinazolin-4-amine is c1ccc(OCCCCCCCCCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(10-phenoxydecyl)quinazolin-4-amine?
The InChIKey is YPYJWXFBBGAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1(2-4-6-13-19-28-21-14-8-7-9-15-21)3-5-12-18-25-24-22-16-10-11-17-23(22)26-20-27-24/h7-11,14-17,20H,1-6,12-13,18-19H2,(H,25,26,27).
What are the key properties of N-(10-phenoxydecyl)quinazolin-4-amine?
N-(10-phenoxydecyl)quinazolin-4-amine has a molecular weight of 377.53 g/mol, XLogP of 6.24, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-phenoxydecyl)quinazolin-4-amine is sourced from PubChem (CID 20545322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).