N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C22H30N4O3 — CID 17464931

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H30N4O3/c27-20(8-11-25-17-24-19-7-3-2-6-18(19)21(25)28)23-16-22(9-4-1-5-10-22)26-12-14-29-15-13-26/h2-3,6-7,17H,1,4-5,8-16H2,(H,23,27)
InChIKeyCQDPFWFVEFAEKL-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.94
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 17464931) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID17464931
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H30N4O3/c27-20(8-11-25-17-24-19-7-3-2-6-18(19)21(25)28)23-16-22(9-4-1-5-10-22)26-12-14-29-15-13-26/h2-3,6-7,17H,1,4-5,8-16H2,(H,23,27)
InChIKeyCQDPFWFVEFAEKL-UHFFFAOYSA-N
XLogP1.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 17464931) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is CQDPFWFVEFAEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(8-11-25-17-24-19-7-3-2-6-18(19)21(25)28)23-16-22(9-4-1-5-10-22)26-12-14-29-15-13-26/h2-3,6-7,17H,1,4-5,8-16H2,(H,23,27).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 398.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 17464931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).