N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine

C26H33N5O — CID 166680277

IUPACN-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
SMILESCCC(C)Nc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C26H33N5O/c1-4-18(2)27-20-11-12-22-21(17-20)26(29-25(28-22)19-9-10-19)31-15-13-30(14-16-31)23-7-5-6-8-24(23)32-3/h5-8,11-12,17-19,27H,4,9-10,13-16H2,1-3H3
InChIKeyQMGRNQOOWMRDFV-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.05
Rot. Bonds7

About N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine

N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine (PubChem CID 166680277) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
PubChem CID166680277
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
SMILESCCC(C)Nc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C26H33N5O/c1-4-18(2)27-20-11-12-22-21(17-20)26(29-25(28-22)19-9-10-19)31-15-13-30(14-16-31)23-7-5-6-8-24(23)32-3/h5-8,11-12,17-19,27H,4,9-10,13-16H2,1-3H3
InChIKeyQMGRNQOOWMRDFV-UHFFFAOYSA-N
XLogP5.05
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine with MolForge

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Related Compounds

2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
CID 90236943
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-3-ylquinazoline
CID 90237774
[3-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-4-methoxyphenyl]methanamine
CID 76902422
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
4-[4-[2-(azetidin-1-yl)phenyl]piperazin-1-yl]-2-cyclopropylquinazolin-6-amine
CID 155283631
2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 134171724
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
CID 90248895

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine?
The IUPAC name of N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine (CID 166680277) is N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine.
What is the SMILES notation for N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine?
The canonical SMILES for N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine is CCC(C)Nc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine?
The InChIKey is QMGRNQOOWMRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-4-18(2)27-20-11-12-22-21(17-20)26(29-25(28-22)19-9-10-19)31-15-13-30(14-16-31)23-7-5-6-8-24(23)32-3/h5-8,11-12,17-19,27H,4,9-10,13-16H2,1-3H3.
What are the key properties of N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine?
N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine has a molecular weight of 431.58 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine is sourced from PubChem (CID 166680277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).