N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride

C25H25Cl2N5O — CID 175848367

IUPACN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride
SMILESCc1noc(C)c1-c1ccc2nc(C3=CCNCC3)nc(NCc3cccc(Cl)c3)c2c1.Cl
InChIInChI=1S/C25H24ClN5O.ClH/c1-15-23(16(2)32-31-15)19-6-7-22-21(13-19)25(28-14-17-4-3-5-20(26)12-17)30-24(29-22)18-8-10-27-11-9-18;/h3-8,12-13,27H,9-11,14H2,1-2H3,(H,28,29,30);1H
InChIKeyYGQCASKXZXAMDU-UHFFFAOYSA-N
MW482.42 g/mol
LogP5.97
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride

N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride (PubChem CID 175848367) has the molecular formula C25H25Cl2N5O and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride
PubChem CID175848367
Molecular FormulaC25H25Cl2N5O
Molecular Weight482.42 g/mol
Exact Mass481.14
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride
SMILESCc1noc(C)c1-c1ccc2nc(C3=CCNCC3)nc(NCc3cccc(Cl)c3)c2c1.Cl
InChIInChI=1S/C25H24ClN5O.ClH/c1-15-23(16(2)32-31-15)19-6-7-22-21(13-19)25(28-14-17-4-3-5-20(26)12-17)30-24(29-22)18-8-10-27-11-9-18;/h3-8,12-13,27H,9-11,14H2,1-2H3,(H,28,29,30);1H
InChIKeyYGQCASKXZXAMDU-UHFFFAOYSA-N
XLogP5.97
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
CID 129166146
N-[(3-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165980
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
2-[1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperidin-4-yl]ethanol
CID 129165868
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-2-(1,1-dioxothietan-3-yl)ethanone
CID 159969569
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide
CID 129166180
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 162102553
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2-carboxamide
CID 129165859
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-2-yl]-2-(1,1-dioxothian-4-yl)ethanone
CID 148600627
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165926
N-[(5-chloro-3-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
CID 129166127
N-[(2-chloro-4-pyridinyl)methyl]-4-[(5-chloro-3-pyridinyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2-carboxamide
CID 129166069

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride (CID 175848367) is N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride is Cc1noc(C)c1-c1ccc2nc(C3=CCNCC3)nc(NCc3cccc(Cl)c3)c2c1.Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is YGQCASKXZXAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O.ClH/c1-15-23(16(2)32-31-15)19-6-7-22-21(13-19)25(28-14-17-4-3-5-20(26)12-17)30-24(29-22)18-8-10-27-11-9-18;/h3-8,12-13,27H,9-11,14H2,1-2H3,(H,28,29,30);1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride?
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 482.42 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 175848367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).