2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C29H24ClN5O2 — CID 59420928

IUPAC2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl
InChIInChI=1S/C29H24ClN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,10,12-16,22H,7-9,11,17H2,(H,34,36)
InChIKeyHXIWDHDNAMBDLS-UHFFFAOYSA-N
MW510.00 g/mol
LogP5.20
Rot. Bonds5

About 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420928) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420928
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC Name2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl
InChIInChI=1S/C29H24ClN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,10,12-16,22H,7-9,11,17H2,(H,34,36)
InChIKeyHXIWDHDNAMBDLS-UHFFFAOYSA-N
XLogP5.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420928) is 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NC1CCOC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl.
What is the InChIKey of 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is HXIWDHDNAMBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O2/c30-24-13-18(3-5-23(24)27(36)34-22-7-11-37-17-22)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-19(12-21)2-1-10-31-25/h1-6,10,12-16,22H,7-9,11,17H2,(H,34,36).
What are the key properties of 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 510.00 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).