2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol

C28H37N5O — CID 118617646

IUPAC2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol
SMILESCc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2cc1N(C)CCO
InChIInChI=1S/C28H37N5O/c1-19-17-24-23(18-26(19)32(4)15-16-34)28(30-27(29-24)21-9-10-21)33-13-11-20(12-14-33)22-7-5-6-8-25(22)31(2)3/h5-8,17-18,20-21,34H,9-16H2,1-4H3
InChIKeyCZTNBAQBDGYNND-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.69
Rot. Bonds7

About 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol

2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol (PubChem CID 118617646) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol
PubChem CID118617646
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol
SMILESCc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2cc1N(C)CCO
InChIInChI=1S/C28H37N5O/c1-19-17-24-23(18-26(19)32(4)15-16-34)28(30-27(29-24)21-9-10-21)33-13-11-20(12-14-33)22-7-5-6-8-25(22)31(2)3/h5-8,17-18,20-21,34H,9-16H2,1-4H3
InChIKeyCZTNBAQBDGYNND-UHFFFAOYSA-N
XLogP4.69
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol with MolForge

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Related Compounds

6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
CID 2971918
CID 2971918
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
2-Phenyl-4-(1-piperidinyl)quinazoline
CID 780644
4-(4-Methyl-1-piperidinyl)-2-phenylquinazoline
CID 719693
2-[[2-(3,4-Dimethylanilino)quinazolin-4-yl]amino]ethanol
CID 2226126
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
6-Ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23628221
6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23647915

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol (CID 118617646) is 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol is Cc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4N(C)C)CC3)c2cc1N(C)CCO.
What is the InChIKey of 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol?
The InChIKey is CZTNBAQBDGYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O/c1-19-17-24-23(18-26(19)32(4)15-16-34)28(30-27(29-24)21-9-10-21)33-13-11-20(12-14-33)22-7-5-6-8-25(22)31(2)3/h5-8,17-18,20-21,34H,9-16H2,1-4H3.
What are the key properties of 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol?
2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol has a molecular weight of 459.64 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-7-methylquinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118617646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).