6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one

C25H27N7O3 — CID 135983984

IUPAC6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)nc2n1
InChIInChI=1S/C25H27N7O3/c1-15-12-34-9-7-31(15)23-18-4-6-20(17-3-5-21-19(11-17)24(33)27-14-26-21)28-22(18)29-25(30-23)32-8-10-35-13-16(32)2/h3-6,11,14-16H,7-10,12-13H2,1-2H3,(H,26,27,33)/t15-,16-/m0/s1
InChIKeyCTXQZZJRHXYZQA-HOTGVXAUSA-N
MW473.54 g/mol
LogP2.38
Rot. Bonds3

About 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one

6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one (PubChem CID 135983984) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
PubChem CID135983984
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)nc2n1
InChIInChI=1S/C25H27N7O3/c1-15-12-34-9-7-31(15)23-18-4-6-20(17-3-5-21-19(11-17)24(33)27-14-26-21)28-22(18)29-25(30-23)32-8-10-35-13-16(32)2/h3-6,11,14-16H,7-10,12-13H2,1-2H3,(H,26,27,33)/t15-,16-/m0/s1
InChIKeyCTXQZZJRHXYZQA-HOTGVXAUSA-N
XLogP2.38
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one (CID 135983984) is 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)nc2n1.
What is the InChIKey of 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one?
The InChIKey is CTXQZZJRHXYZQA-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-15-12-34-9-7-31(15)23-18-4-6-20(17-3-5-21-19(11-17)24(33)27-14-26-21)28-22(18)29-25(30-23)32-8-10-35-13-16(32)2/h3-6,11,14-16H,7-10,12-13H2,1-2H3,(H,26,27,33)/t15-,16-/m0/s1.
What are the key properties of 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one?
6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one has a molecular weight of 473.54 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135983984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).