N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine

C24H24ClN5O — CID 10410643

IUPACN-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine
SMILESCOCc1nc(Nc2ccc(C(C)(C)C)nc2)c2ccc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C24H24ClN5O/c1-24(2,3)20-10-8-16(13-27-20)28-23-17-9-7-15(22-18(25)6-5-11-26-22)12-19(17)29-21(30-23)14-31-4/h5-13H,14H2,1-4H3,(H,28,29,30)
InChIKeyZZCAAWJRZYKZTH-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.93
Rot. Bonds5

About N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine

N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine (PubChem CID 10410643) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine
PubChem CID10410643
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine
SMILESCOCc1nc(Nc2ccc(C(C)(C)C)nc2)c2ccc(-c3ncccc3Cl)cc2n1
InChIInChI=1S/C24H24ClN5O/c1-24(2,3)20-10-8-16(13-27-20)28-23-17-9-7-15(22-18(25)6-5-11-26-22)12-19(17)29-21(30-23)14-31-4/h5-13H,14H2,1-4H3,(H,28,29,30)
InChIKeyZZCAAWJRZYKZTH-UHFFFAOYSA-N
XLogP5.93
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 58665908
2-(methoxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030435
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-propan-2-ylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 10070729
N-[4-(fluoromethylsulfonyl)phenyl]-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 71137419
2-(methoxymethyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11363965
2-[4-[[2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]amino]phenyl]-2-methylpropanenitrile
CID 10480147
N-(4-tert-butylphenyl)-7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine
CID 58665877
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 22030189
2-[[(2-methoxyphenyl)methylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 22030408
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 10151532
methyl 2-[[4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methoxy]acetate
CID 142908972

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine?
The IUPAC name of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine (CID 10410643) is N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine.
What is the SMILES notation for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine?
The canonical SMILES for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine is COCc1nc(Nc2ccc(C(C)(C)C)nc2)c2ccc(-c3ncccc3Cl)cc2n1.
What is the InChIKey of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine?
The InChIKey is ZZCAAWJRZYKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-24(2,3)20-10-8-16(13-27-20)28-23-17-9-7-15(22-18(25)6-5-11-26-22)12-19(17)29-21(30-23)14-31-4/h5-13H,14H2,1-4H3,(H,28,29,30).
What are the key properties of N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine?
N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine has a molecular weight of 433.94 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-3-pyridinyl)-7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)quinazolin-4-amine is sourced from PubChem (CID 10410643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).