6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide

C16H14BrN5O — CID 166303387

IUPAC6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1ncc2cc(Br)ccc2n1
InChIInChI=1S/C16H14BrN5O/c17-10-4-5-12-9(6-10)7-18-15(20-12)16(23)19-8-14-11-2-1-3-13(11)21-22-14/h4-7H,1-3,8H2,(H,19,23)(H,21,22)
InChIKeyMFSRFOPMXWFUTJ-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.53
Rot. Bonds3

About 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide

6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide (PubChem CID 166303387) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
PubChem CID166303387
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1ncc2cc(Br)ccc2n1
InChIInChI=1S/C16H14BrN5O/c17-10-4-5-12-9(6-10)7-18-15(20-12)16(23)19-8-14-11-2-1-3-13(11)21-22-14/h4-7H,1-3,8H2,(H,19,23)(H,21,22)
InChIKeyMFSRFOPMXWFUTJ-UHFFFAOYSA-N
XLogP2.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 137641415
N-[3-[[6-bromo-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
CID 177657769
6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 167827865
15-bromo-N-methyl-12-pyridin-2-yl-2,3,5,8,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,14,16-pentaene-4-carboxamide
CID 13273310
6-bromo-4-(1H-pyrazol-4-yl)quinazoline
CID 22031074
1-(2-(6-Bromoquinazolin-2-ylamino)ethyl)pyrrolidin-2-one
CID 58829552
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide
CID 59452173
2-Acetamido-6-bromo-4-(1,2,4-triazolyl)-quinazoline
CID 68603022
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]formamide
CID 89260416
tert-butyl N-[2-[4-(6-bromoquinazolin-4-yl)pyrazol-1-yl]ethyl]carbamate
CID 90396317
[6-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135198800
N-(4-bromo-2-methylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8401832

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide?
The IUPAC name of 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide (CID 166303387) is 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide is O=C(NCc1n[nH]c2c1CCC2)c1ncc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide?
The InChIKey is MFSRFOPMXWFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c17-10-4-5-12-9(6-10)7-18-15(20-12)16(23)19-8-14-11-2-1-3-13(11)21-22-14/h4-7H,1-3,8H2,(H,19,23)(H,21,22).
What are the key properties of 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide?
6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide has a molecular weight of 372.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 166303387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).