N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide

C26H29N7O2 — CID 10227162

IUPACN-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(c3ncnc4cc(OCCN5CCCC5)ccc34)CC2)cc1
InChIInChI=1S/C26H29N7O2/c27-18-20-3-5-21(6-4-20)30-26(34)33-13-11-32(12-14-33)25-23-8-7-22(17-24(23)28-19-29-25)35-16-15-31-9-1-2-10-31/h3-8,17,19H,1-2,9-16H2,(H,30,34)
InChIKeyLQHRWWJBSONRGP-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.33
Rot. Bonds6

About N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide

N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide (PubChem CID 10227162) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
PubChem CID10227162
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(c3ncnc4cc(OCCN5CCCC5)ccc34)CC2)cc1
InChIInChI=1S/C26H29N7O2/c27-18-20-3-5-21(6-4-20)30-26(34)33-13-11-32(12-14-33)25-23-8-7-22(17-24(23)28-19-29-25)35-16-15-31-9-1-2-10-31/h3-8,17,19H,1-2,9-16H2,(H,30,34)
InChIKeyLQHRWWJBSONRGP-UHFFFAOYSA-N
XLogP3.33
TPSA97.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrol-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10918068
N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 11200526
4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10210632
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxyacetic acid
CID 11190431
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
N-(4-cyanophenyl)-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide
CID 10907383
N-(4-phenoxyphenyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707669
6-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoic acid
CID 11599238

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide (CID 10227162) is N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCN(c3ncnc4cc(OCCN5CCCC5)ccc34)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
The InChIKey is LQHRWWJBSONRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c27-18-20-3-5-21(6-4-20)30-26(34)33-13-11-32(12-14-33)25-23-8-7-22(17-24(23)28-19-29-25)35-16-15-31-9-1-2-10-31/h3-8,17,19H,1-2,9-16H2,(H,30,34).
What are the key properties of N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 10227162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).