2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine

C28H38N4O — CID 118617784

IUPAC2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C(C)CC)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C28H38N4O/c1-6-16-31(4)22-12-13-25-24(19-22)28(30-27(29-25)20(3)7-2)32-17-14-21(15-18-32)23-10-8-9-11-26(23)33-5/h8-13,19-21H,6-7,14-18H2,1-5H3
InChIKeyXWGKKWOIGJVDKJ-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.38
Rot. Bonds8

About 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine

2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (PubChem CID 118617784) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
PubChem CID118617784
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC Name2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
SMILESCCCN(C)c1ccc2nc(C(C)CC)nc(N3CCC(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C28H38N4O/c1-6-16-31(4)22-12-13-25-24(19-22)28(30-27(29-25)20(3)7-2)32-17-14-21(15-18-32)23-10-8-9-11-26(23)33-5/h8-13,19-21H,6-7,14-18H2,1-5H3
InChIKeyXWGKKWOIGJVDKJ-UHFFFAOYSA-N
XLogP6.38
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine with MolForge

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Related Compounds

2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
CID 144986130
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
1-[6-(4-aminobutan-2-yl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-2-yl]-N-methyl-N-propylcyclopropan-1-amine
CID 118610454
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
2-[[2-(4-fluorobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetic acid
CID 163927970
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
CID 159983851
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The IUPAC name of 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine (CID 118617784) is 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine.
What is the SMILES notation for 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The canonical SMILES for 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine is CCCN(C)c1ccc2nc(C(C)CC)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
The InChIKey is XWGKKWOIGJVDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/c1-6-16-31(4)22-12-13-25-24(19-22)28(30-27(29-25)20(3)7-2)32-17-14-21(15-18-32)23-10-8-9-11-26(23)33-5/h8-13,19-21H,6-7,14-18H2,1-5H3.
What are the key properties of 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine?
2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine has a molecular weight of 446.64 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine is sourced from PubChem (CID 118617784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).