N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine

C30H34N4O3 — CID 167215932

IUPACN-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine
SMILESCCC(CC)Oc1cc2c(Nc3cc(-c4cccc(N5CCC5)c4)ccc3OC)ncnc2cc1OC
InChIInChI=1S/C30H34N4O3/c1-5-23(6-2)37-29-17-24-25(18-28(29)36-4)31-19-32-30(24)33-26-16-21(11-12-27(26)35-3)20-9-7-10-22(15-20)34-13-8-14-34/h7,9-12,15-19,23H,5-6,8,13-14H2,1-4H3,(H,31,32,33)
InChIKeySZFZSRIMEHDDMF-UHFFFAOYSA-N
MW498.63 g/mol
LogP6.84
Rot. Bonds10

About N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine

N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine (PubChem CID 167215932) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine
PubChem CID167215932
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine
SMILESCCC(CC)Oc1cc2c(Nc3cc(-c4cccc(N5CCC5)c4)ccc3OC)ncnc2cc1OC
InChIInChI=1S/C30H34N4O3/c1-5-23(6-2)37-29-17-24-25(18-28(29)36-4)31-19-32-30(24)33-26-16-21(11-12-27(26)35-3)20-9-7-10-22(15-20)34-13-8-14-34/h7,9-12,15-19,23H,5-6,8,13-14H2,1-4H3,(H,31,32,33)
InChIKeySZFZSRIMEHDDMF-UHFFFAOYSA-N
XLogP6.84
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine with MolForge

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Related Compounds

N-[5-(2,6-difluoro-3-pyridinyl)-2-methoxyphenyl]-6-hexan-3-yloxy-7-methoxyquinazolin-4-amine
CID 167216065
6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
CID 167215906
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-octan-4-yloxyquinazolin-4-amine
CID 143282534
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
1-[2-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxybutyl-methylamino]-3-methylpentan-2-one
CID 143021806
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
1-[4-[4-[5-(4-fluorophenyl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086373
4,6-dimethoxy-7-pentan-3-yloxyquinoline
CID 155219752
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine?
The IUPAC name of N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine (CID 167215932) is N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine.
What is the SMILES notation for N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine?
The canonical SMILES for N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine is CCC(CC)Oc1cc2c(Nc3cc(-c4cccc(N5CCC5)c4)ccc3OC)ncnc2cc1OC.
What is the InChIKey of N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine?
The InChIKey is SZFZSRIMEHDDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-5-23(6-2)37-29-17-24-25(18-28(29)36-4)31-19-32-30(24)33-26-16-21(11-12-27(26)35-3)20-9-7-10-22(15-20)34-13-8-14-34/h7,9-12,15-19,23H,5-6,8,13-14H2,1-4H3,(H,31,32,33).
What are the key properties of N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine?
N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine has a molecular weight of 498.63 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(azetidin-1-yl)phenyl]-2-methoxyphenyl]-7-methoxy-6-pentan-3-yloxyquinazolin-4-amine is sourced from PubChem (CID 167215932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).