N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

C27H25N5O — CID 10160134

IUPACN-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(C#CC4CCNCC4)cc23)ccc1Oc1cccnc1
InChIInChI=1S/C27H25N5O/c1-19-15-22(7-9-26(19)33-23-3-2-12-29-17-23)32-27-24-16-21(6-8-25(24)30-18-31-27)5-4-20-10-13-28-14-11-20/h2-3,6-9,12,15-18,20,28H,10-11,13-14H2,1H3,(H,30,31,32)
InChIKeyNUXRNLPBHAIASC-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.22
Rot. Bonds4

About N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine (PubChem CID 10160134) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
PubChem CID10160134
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(C#CC4CCNCC4)cc23)ccc1Oc1cccnc1
InChIInChI=1S/C27H25N5O/c1-19-15-22(7-9-26(19)33-23-3-2-12-29-17-23)32-27-24-16-21(6-8-25(24)30-18-31-27)5-4-20-10-13-28-14-11-20/h2-3,6-9,12,15-18,20,28H,10-11,13-14H2,1H3,(H,30,31,32)
InChIKeyNUXRNLPBHAIASC-UHFFFAOYSA-N
XLogP5.22
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine with MolForge

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Related Compounds

Cp-724714
CID 9874913
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
Dibenzo[c,f][2,7]naphthyridine, 14
CID 23648180
N2-(2-Methoxyphenethyl)-N4-methyl-N6-(quinolin-6-yl)-1,3,5-triazine-2,4,6-triamine
CID 24767924
(R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-5-yloxy)propanamide
CID 11712237
(E)-2-methoxy-N-(3-(4-(3-methyl-4-(6-methylpyridin-3-yloxy)phenylamino)quinazolin-6-yl)allyl)acetamide
CID 53401057
7-[[5-(Methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine
CID 91971389
7-(2-Ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
CID 56679775
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390
N4-[2-[4-(2-pyridylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509556
N4-[2-[4-(2-quinolylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509557
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine?
The IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine (CID 10160134) is N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine?
The canonical SMILES for N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(C#CC4CCNCC4)cc23)ccc1Oc1cccnc1.
What is the InChIKey of N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine?
The InChIKey is NUXRNLPBHAIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-19-15-22(7-9-26(19)33-23-3-2-12-29-17-23)32-27-24-16-21(6-8-25(24)30-18-31-27)5-4-20-10-13-28-14-11-20/h2-3,6-9,12,15-18,20,28H,10-11,13-14H2,1H3,(H,30,31,32).
What are the key properties of N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine?
N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine has a molecular weight of 435.53 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine is sourced from PubChem (CID 10160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).