N-propan-2-yl-4-quinazolin-4-ylaniline

C17H17N3 — CID 141220495

IUPACN-propan-2-yl-4-quinazolin-4-ylaniline
SMILESCC(C)Nc1ccc(-c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3/c1-12(2)20-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18-11-19-17/h3-12,20H,1-2H3
InChIKeyCNXLQIZYMFVGBA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.12
Rot. Bonds3

About N-propan-2-yl-4-quinazolin-4-ylaniline

N-propan-2-yl-4-quinazolin-4-ylaniline (PubChem CID 141220495) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-propan-2-yl-4-quinazolin-4-ylaniline.

Molecular Properties

Compound NameN-propan-2-yl-4-quinazolin-4-ylaniline
PubChem CID141220495
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-propan-2-yl-4-quinazolin-4-ylaniline
SMILESCC(C)Nc1ccc(-c2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3/c1-12(2)20-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18-11-19-17/h3-12,20H,1-2H3
InChIKeyCNXLQIZYMFVGBA-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-ylquinazoline
CID 58881337
4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 164799829
4-methylsulfonyl-N-(3-quinazolin-4-ylphenyl)benzenesulfonamide
CID 71263613
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
CID 70933812
N-[3-chloro-4-[(3-quinazolin-4-ylphenyl)carbamoylamino]phenyl]acetamide
CID 70933844
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
N,3-dimethyl-5-(4-phenylquinazolin-6-yl)pyridin-2-amine
CID 141364051
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
4-butan-2-yloxyquinazoline
CID 121007235
benzene;4-methylquinazoline
CID 174274782
7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
CID 159038864

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-quinazolin-4-ylaniline?
The IUPAC name of N-propan-2-yl-4-quinazolin-4-ylaniline (CID 141220495) is N-propan-2-yl-4-quinazolin-4-ylaniline.
What is the SMILES notation for N-propan-2-yl-4-quinazolin-4-ylaniline?
The canonical SMILES for N-propan-2-yl-4-quinazolin-4-ylaniline is CC(C)Nc1ccc(-c2ncnc3ccccc23)cc1.
What is the InChIKey of N-propan-2-yl-4-quinazolin-4-ylaniline?
The InChIKey is CNXLQIZYMFVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12(2)20-14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)18-11-19-17/h3-12,20H,1-2H3.
What are the key properties of N-propan-2-yl-4-quinazolin-4-ylaniline?
N-propan-2-yl-4-quinazolin-4-ylaniline has a molecular weight of 263.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-quinazolin-4-ylaniline is sourced from PubChem (CID 141220495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).