2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde

C26H30N4O2 — CID 144986141

IUPAC2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CC=O)cc23)CC1
InChIInChI=1S/C26H30N4O2/c1-29(15-16-31)20-9-10-23-22(17-20)26(28-25(27-23)19-7-8-19)30-13-11-18(12-14-30)21-5-3-4-6-24(21)32-2/h3-6,9-10,16-19H,7-8,11-15H2,1-2H3
InChIKeyNBJMWQCVANGODC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.53
Rot. Bonds7

About 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde

2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde (PubChem CID 144986141) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
PubChem CID144986141
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CC=O)cc23)CC1
InChIInChI=1S/C26H30N4O2/c1-29(15-16-31)20-9-10-23-22(17-20)26(28-25(27-23)19-7-8-19)30-13-11-18(12-14-30)21-5-3-4-6-24(21)32-2/h3-6,9-10,16-19H,7-8,11-15H2,1-2H3
InChIKeyNBJMWQCVANGODC-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
CID 144986130
[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]methanol
CID 130356430
2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617784
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-nitroquinazoline;ethane;4-(2-methoxyphenyl)piperidine;propane
CID 144986111
ethane;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
CID 144986131
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-[[2-(4-fluorobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetic acid
CID 163927970
2-[[2-cyclopropyl-4-[(3R)-3-(2-methoxyanilino)pyrrolidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde?
The IUPAC name of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde (CID 144986141) is 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde.
What is the SMILES notation for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde?
The canonical SMILES for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CC=O)cc23)CC1.
What is the InChIKey of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde?
The InChIKey is NBJMWQCVANGODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-29(15-16-31)20-9-10-23-22(17-20)26(28-25(27-23)19-7-8-19)30-13-11-18(12-14-30)21-5-3-4-6-24(21)32-2/h3-6,9-10,16-19H,7-8,11-15H2,1-2H3.
What are the key properties of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde?
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde has a molecular weight of 430.55 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde is sourced from PubChem (CID 144986141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).