5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one

C19H14ClN7O2 — CID 118575545

IUPAC5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESCC(Nc1ncnc2ccoc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C19H14ClN7O2/c1-10(24-17-16-13(6-8-29-16)21-9-22-17)18-25-12-4-2-3-11(20)15(12)19(28)27(18)14-5-7-23-26-14/h2-10H,1H3,(H,23,26)(H,21,22,24)
InChIKeyUSKQMUNKKMODRW-UHFFFAOYSA-N
MW407.82 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one

5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one (PubChem CID 118575545) has the molecular formula C19H14ClN7O2 and a molecular weight of 407.82 g/mol. Its IUPAC name is 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
PubChem CID118575545
Molecular FormulaC19H14ClN7O2
Molecular Weight407.82 g/mol
Exact Mass407.09
IUPAC Name5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESCC(Nc1ncnc2ccoc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1
InChIInChI=1S/C19H14ClN7O2/c1-10(24-17-16-13(6-8-29-16)21-9-22-17)18-25-12-4-2-3-11(20)15(12)19(28)27(18)14-5-7-23-26-14/h2-10H,1H3,(H,23,26)(H,21,22,24)
InChIKeyUSKQMUNKKMODRW-UHFFFAOYSA-N
XLogP3.47
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118575555
2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431
2-[1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-5-fluoro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118576214
5-chloro-2-[(S)-cyclopropyl-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)methyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575473
5-chloro-2-[(1S)-1-(imidazo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118576255
1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]propylcarbamic acid
CID 118576305
4-[[(1S)-1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6-methyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 134427724
2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
CID 175527759
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(5-aminopyrazin-2-yl)-5-chloroquinazolin-4-one
CID 118574347
4-[[(1S)-1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294839
4-amino-6-[[(1S)-1-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118571566
3-[(1S)-1-[[6-amino-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-(1H-pyrazol-5-yl)isoquinolin-1-one
CID 175527665

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one (CID 118575545) is 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one is CC(Nc1ncnc2ccoc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccn[nH]1.
What is the InChIKey of 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The InChIKey is USKQMUNKKMODRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7O2/c1-10(24-17-16-13(6-8-29-16)21-9-22-17)18-25-12-4-2-3-11(20)15(12)19(28)27(18)14-5-7-23-26-14/h2-10H,1H3,(H,23,26)(H,21,22,24).
What are the key properties of 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one?
5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one has a molecular weight of 407.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(furo[3,2-d]pyrimidin-4-ylamino)ethyl]-3-(1H-pyrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 118575545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).