N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide

C23H26N4O3 — CID 71830080

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3ncnc(N4CCCC4)c3c2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-15(16-7-9-20(29-2)21(13-16)30-3)26-23(28)17-6-8-19-18(12-17)22(25-14-24-19)27-10-4-5-11-27/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyQCVWFLOHYFEXNX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide (PubChem CID 71830080) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
PubChem CID71830080
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3ncnc(N4CCCC4)c3c2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-15(16-7-9-20(29-2)21(13-16)30-3)26-23(28)17-6-8-19-18(12-17)22(25-14-24-19)27-10-4-5-11-27/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyQCVWFLOHYFEXNX-UHFFFAOYSA-N
XLogP3.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94026864
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132424
5-chloro-2-methoxy-N-(4-pyrrolidin-1-ylquinazolin-6-yl)benzamide
CID 53140541

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide (CID 71830080) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide is COc1ccc(C(C)NC(=O)c2ccc3ncnc(N4CCCC4)c3c2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
The InChIKey is QCVWFLOHYFEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(16-7-9-20(29-2)21(13-16)30-3)26-23(28)17-6-8-19-18(12-17)22(25-14-24-19)27-10-4-5-11-27/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71830080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).